Spektraris NMR
(+)-Cycloolivil-4'-O-b-D-glucopyranoside
Common Name: (+)-Cycloolivil-4'-O-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O12/c1-35-18-6-13-8-26(34,11-29)15(9-27)21(14(13)7-16(18)30)12-3-4-17(19(5-12)36-2)37-25-24(33)23(32)22(31)20(10-28)38-25/h3-7,15,20-25,27-34H,8-11H2,1-2H3/t15-,20-,21+,22-,23+,24-,25-,26-/m1/s1
InChIKey: InChIKey=CBHWSKLIWKFSRU-MNAFQOMLSA-N
Formula: C26H34O12
Molecular Weight: 538.541978
Exact Mass: 538.205027
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Otsuka, H., Ruchirawat, S. Phytochemistry (2006) 67, 516-20
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 133.1 |
| 2 (C) | 126.5 |
| 3 (CH) | 117.3 |
| 4 (C) | 145.4 |
| 5 (C) | 147.6 |
| 6 (CH) | 113 |
| 7 (CH2) | 39.9 |
| 8 (C) | 74.9 |
| 9 (CH2) | 69.3 |
| 1' (C) | 142 |
| 2' (CH) | 114.9 |
| 3' (C) | 150.8 |
| 4' (C) | 146.6 |
| 5' (CH) | 117.9 |
| 6' (CH) | 123.6 |
| 7' (CH) | 45 |
| 8' (CH) | 47.5 |
| 9' (CH2) | 60.8 |
| 1'' (CH) | 102.9 |
| 2'' (CH) | 74.9 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.5 |
| 5a (CH3) | 56.7 |
| 3'a (CH3) | 56.4 |
